SCHEMBL374166

SCHEMBL374166

CN(C)c1cccc(Nc2cc(N)ncn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
NPC1 O15118 2/20 0.49
KDM1A O60341 1/20 0.47
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TNNI3K Q59H18 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
SCN9A Q15858 1/20 0.43
NOS1 P29475 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27700538 0.92 EGFR (0.54) EGFRNPC1KDM1ACDK1CCNB1
SCHEMBL374904 0.85 TNNI3K (0.57) EGFRNPC1KDM1ATNNI3KMEN1
SCHEMBL14558182 0.84 NPC1 (0.71) EGFRNPC1KDM1ATNNI3KMEN1
SCHEMBL14558181 0.82 CYP1A2 (0.52) EGFRNPC1KDM1ACDK1CCNB1
SCHEMBL8798667 0.80 EGFR (0.61) EGFRCDK1CCNB1CCNA2CCNE1
SCHEMBL4108904 0.79 CCNT1 (0.54) EGFRMEN1KMT2ACYP1A2CYP2D6
SCHEMBL374636 0.78 CYP2D6 (0.51) EGFRNPC1CDK1CCNB1CCNA2
SCHEMBL14558177 0.77 EGFR (0.47) EGFRCDK1CCNB1CCNA2CDK2
SCHEMBL3431925 0.77 CDK1 (0.60) EGFRNPC1CDK1CCNB1CCNA2
SCHEMBL374472 0.76 EGFR (0.64) EGFRCDK1CCNB1CCNA2CCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121972-B As the pyrimidine urea derivatives of kinase inhibitor NOVARTIS AG (CH) 2015-07-29 CN disclosed
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8552002-B2 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP disclosed
CN-103121973-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
EP-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885NPC1 2089/4885KDM1A 1149/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885NPC1 2089/4885KDM1A 1149/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EGFR 397/4885NPC1 2089/4885KDM1A 1149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.